2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid

C21H15NO4 — CID 174554133

IUPAC2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(C(=O)O)c1ccccc1O2
InChIInChI=1S/C21H15NO4/c23-20(22-14-6-2-1-3-7-14)13-10-11-18-16(12-13)19(21(24)25)15-8-4-5-9-17(15)26-18/h1-12,19H,(H,22,23)(H,24,25)
InChIKeyOSZWKLQXHRRWTM-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.26
Rot. Bonds3

About 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid

2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid (PubChem CID 174554133) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Name2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid
PubChem CID174554133
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(C(=O)O)c1ccccc1O2
InChIInChI=1S/C21H15NO4/c23-20(22-14-6-2-1-3-7-14)13-10-11-18-16(12-13)19(21(24)25)15-8-4-5-9-17(15)26-18/h1-12,19H,(H,22,23)(H,24,25)
InChIKeyOSZWKLQXHRRWTM-UHFFFAOYSA-N
XLogP4.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
2,3-dimethyl-9H-xanthene-9-carboxylic acid
CID 139807013
N-phenyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene-14-carboxamide
CID 102452440
3-bromo-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1057861
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
(E)-3-[(9R)-2-chloro-9H-xanthen-9-yl]-4-hydroxy-4-phenylbut-3-en-2-one
CID 2175959
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid?
The IUPAC name of 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid (CID 174554133) is 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid.
What is the SMILES notation for 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid?
The canonical SMILES for 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid is O=C(Nc1ccccc1)c1ccc2c(c1)C(C(=O)O)c1ccccc1O2.
What is the InChIKey of 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid?
The InChIKey is OSZWKLQXHRRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20(22-14-6-2-1-3-7-14)13-10-11-18-16(12-13)19(21(24)25)15-8-4-5-9-17(15)26-18/h1-12,19H,(H,22,23)(H,24,25).
What are the key properties of 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid?
2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoyl)-9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 174554133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).